1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C19H17FN4O — CID 134596466

IUPAC1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1
InChIInChI=1S/C19H17FN4O/c1-13-12-14(6-10-21-13)24-11-7-17(23-24)22-18(25)19(8-9-19)15-4-2-3-5-16(15)20/h2-7,10-12H,8-9H2,1H3,(H,22,23,25)
InChIKeyQFTVKKBLQZTIHL-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134596466) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134596466
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1
InChIInChI=1S/C19H17FN4O/c1-13-12-14(6-10-21-13)24-11-7-17(23-24)22-18(25)19(8-9-19)15-4-2-3-5-16(15)20/h2-7,10-12H,8-9H2,1H3,(H,22,23,25)
InChIKeyQFTVKKBLQZTIHL-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134596466) is 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is Cc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccn1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is QFTVKKBLQZTIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-12-14(6-10-21-13)24-11-7-17(23-24)22-18(25)19(8-9-19)15-4-2-3-5-16(15)20/h2-7,10-12H,8-9H2,1H3,(H,22,23,25).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(2-methyl-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134596466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).